data_global
_chemical_name_mineral 'Barnesite'
loop_
_publ_author_name
'Bachmann H G'
'Barnes W H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 7 
_journal_year 1962
_journal_page_first 219
_journal_page_last 235
_publ_section_title
;
 The crystal structure of a sodium-calcium variety of metahewettite
 Sample: hydrated
 Note: sample is half-way between barnesite and metahewittite
;
_database_code_amcsd 0018488
_chemical_compound_source 'Paradox Valley, Montrose County, Coldrado,USA'
_chemical_formula_sum 'V3 Na.5 Ca.25 O9 H2'
_cell_length_a 12.26
_cell_length_b 3.58
_cell_length_c 8.11
_cell_angle_alpha 90
_cell_angle_beta 92.5
_cell_angle_gamma 90
_cell_volume 355.616
_exptl_crystal_density_diffrn      2.992
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V1   0.06700   0.25000   0.17000   1.00000   0.03800
V2   0.82200   0.25000   0.12700   1.00000   0.03800
V3   0.54000   0.25000   0.83000   1.00000   0.03800
Na   0.30300   0.25000   0.44000   0.50000   0.03800
Ca   0.30300   0.25000   0.44000   0.25000   0.03800
O1   0.90700   0.25000   0.86900   1.00000   0.03800
O2   0.14000   0.25000   0.89200   1.00000   0.03800
O3   0.47500   0.25000   0.11500   1.00000   0.03800
O4   0.95600   0.25000   0.28200   1.00000   0.03800
O5   0.21400   0.25000   0.17300   1.00000   0.03800
O6   0.68200   0.25000   0.04500   1.00000   0.03800
O7   0.65100   0.25000   0.72500   1.00000   0.03800
O8   0.43600   0.25000   0.67000   1.00000   0.03800
Wat   0.70800   0.25000   0.36000   1.00000   0.03800